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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007157.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1007157
_chemical_name_systematic
;
Caesium trisodium tetrametaphosphate tetrahydrate
;
_chemical_formula_structural       'Cs Na3 P4 O12 (H2 O)4'
_chemical_formula_sum              'H8 Cs Na3 O16 P4'
_publ_section_title
;
Contribution to the Crystal Chemistry of Tetrametaphosphates(II)
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    60
_journal_year                      1985
_journal_page_first                13
_journal_page_last                 19
_cell_length_a                     14.50(2)
_cell_length_b                     7.804(3)
_cell_length_c                     7.006(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       792.8
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I m m 2'
_symmetry_Int_Tables_number        44
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cs1+   1.000
  P5+    5.000
  Na1+   1.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Cs1   Cs1+   2 a 0. 0. 0. 1.  0 d
  P1    P5+    8 e 0.10103(6) 0.1930(1) 0.4924(2) 1.  0 d
  Na1   Na1+   2 b 0. 0.5 0.1864(6) 1.  0 d
  Na2   Na1+   4 c 0.2784(2) 0. 0.7302(4) 1.  0 d
  O1    O2-    8 e 0.1673(2) 0.2161(5) 0.6537(5) 1.  0 d
  O2    O2-    8 e 0.3951(2) 0.1975(4) 0.8211(5) 1.  0 d
  O3    O2-    4 ? 0.5 0.2996(6) 0.0899(6) 1.  0 d
  O4    O2-    4 ? 0.6044(3) 0.5 0.9141(7) 1.  0 d
  O5    O2-    4 c 0.2110(4) 0. 0.0389(8) 1.  0 d
  O6    O2-    4 ? 0.1290(5) 0.5 0.9293(8) 1.  0 d
  H1    H1+    8 ? -1. -1. -1. 2.  0 dum
_refine_ls_R_factor_all            0.028